SCHEMBL5522262

SCHEMBL5522262

Clc1ncnc2[nH]cc(C#Cc3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
PIK3CD O00329 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
ADK P55263 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LRRK2 Q5S007 7/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16254776 0.84 PGK1 (0.42) CHEK1PIK3CDAAK1MAPTLRRK2
SCHEMBL5522155 0.84 RET (0.44) PIK3CDAAK1ADKKDM4EMEN1
SCHEMBL1735020 0.76 CHEK1 (0.50) CHEK1LRRK2CHUKROCK1
SCHEMBL312426 0.75 CHEK1 (0.49) CHEK1LRRK2CHUKJAK2PRKD3
SCHEMBL154683 0.74 CHUK (0.61) CHEK1LRRK2CHUKROCK1
SCHEMBL1737697 0.74 CHEK1 (0.56) CHEK1LRRK2CHUK
SCHEMBL311539 0.72 CHEK1 (0.46) CHEK1AAK1LRRK2CHUKPRKD3
SCHEMBL3226104 0.72 LRRK2 (0.61) CHEK1LRRK2CHUKJAK2PRKD3
SCHEMBL29378308 0.72 LRRK2 (0.61) CHEK1LRRK2CHUKJAK2PRKD3
SCHEMBL5815182 0.72 AAK1 (0.57) AAK1PLAUPLATKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169918-B2 Methods for preparing 7-(2′-substituted-β-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-01-30 US claimed
EP-1682564-A1 METHODS FOR PREPARING 7-(2 -SUBSTITUTED-s-D-RIBOFURANO SYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO 2,3-D|PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2006-07-26 EP claimed
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 US claimed
WO-2005044835-A1 METHODS FOR PREPARING 7-(2'-SUBSTITUTED-ß-D-RIBOFURANOSYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2005-05-19 WO claimed
US-7169918-B2 Methods for preparing 7-(2′-substituted-β-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-01-30 US disclosed
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives HAVCR2, NR4A3, NR2C2 CHEK1 4549/4885PIK3CD 3579/4885AAK1 3253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.